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DOE OSTI2021

Determining elastic anisotropy of textured polycrystals using resonant ultrasound spectroscopy

Abstract Polycrystalline materials can have complex anisotropic properties depending on their crystallographic texture and crystal structure. In this study, we use resonant ultrasound spectroscopy (RUS) to nondestructively quantify the elastic anisotropy in extruded aluminum alloy 1100-O, an inherently low-anisotropy material. Further, we show that RUS can be used to indirectly provide a description of the material’s texture, which in the present case is found to be transversely isotropic. By determining the entire elastic tensor, we can identify the level and orientation of the anisotropy originated during extrusion. The relative anisotropy of the compressive (c 11 /c 33 ) and shear (c 44 /c 66 ) elastic constants is 1.5% ± 0.5% and 5.7% ± 0.5%, respectively, where the elastic constants (five independent elastic constants for transversely isotropic) are those associated with the extrusion axis that defines the symmetry of the texture. These results indicate that the texture is expected to have transversely isotropic symmetry. This finding is confirmed by two additional approaches. First, we confirm elastic constants and the degree of elastic anisotropy by direct sound velocity measurements using ultrasonic pulse echo. Second, neutron diffraction (ND) data confirm the symmetry of the bulk texture consistent with extrusion-induced anisotropy, and polycrystal elasticity simulations using the elastic self-consistent model with input from ND textures and aluminum single-crystal elastic constants render similar levels of polycrystal elastic anisotropy to those measured by RUS. We demonstrate the ability of RUS to detect texture-induced anisotropy in inherently low-anisotropy materials. Therefore, as many other common materials have intrinsically higher elastic anisotropy, this technique should be applicable for similar levels of texture, providing an efficient general diagnostic and characterization tool.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Shock compression of additively manufactured high solids loaded polymer composites with aligned porosity

The effects of aligned porosity on the shock-compression response of additively manufactured (AM) composite structures with collinear and log-cabin geometries are investigated. The composites contain two inorganic and two organic particle populations and a UV-curable polymer binder. X-ray phase contrast imaging (X-PCI) is used as an in-material diagnostic in plate-impact experiments performed at the Dynamic Compression Sector of the Advanced Photon Source at the Argonne National Laboratory. Macroscale shock and particle velocities and microscale pore collapse velocities are measured from X-PCI images obtained from samples impacted in various orientations relative to the AM build directions. The linear shock and particle velocity relation for the structures with collinear build geometry shows directional differences, with the build direction exhibiting the highest slope and the filament print direction having the shallowest slope. Composites with log-cabin geometry, due to their slightly lower porosity and smaller sized pores, show higher shock velocities than the collinear structures at the same particle velocity. Microscale directionality effects are also observed, with the pore collapse velocity dependent on the pore configuration. Specifically, the pore collapse velocity is highest for pores elongated along the impact direction which is the case for the colinear structures impacted in the filament print direction, which is consistent with the directionality trend observed in the data for the shock and particle velocity equation of state. The pore collapse velocity approaches ∼80 % of the shock velocity and is several times the average bulk particle velocity, suggesting a highly hydrodynamic mechanism of pore collapse. Overall, both the macroscale response as measured by the shock and particle velocity relationship, and the microscale response as measured by the pore collapse velocity, are found to be anisotropic and dependent on the AM composite structure.

Wagner, K. B. [Georgia Institute of Technology, At↗

DOE OSTI2025

Inclusive studies of two- and three-nucleon short-range correlations in 3 H and 3 He

Inclusive electron scattering at carefully chosen kinematics can isolate scattering from the high-momentum nucleons in short-range correlations (SRCs). SRCs are produced by the hard, short-distance interactions of nucleons in the nucleus, and because the two-nucleon (2N) SRCs arise from the same N-N interaction in all nuclei, the cross section in the SRC-dominated regime is identical up to an overall scaling factor. This scaling behavior has been used to identify SRC dominance and to measure the contribution of SRCs in a wide range of nuclei. We examine this scaling behavior over a range of momentum transfers using new data on 2 H, 3 H, and 3 He, and find an expanded scaling region compared to heavy nuclei. Motivated by this improved scaling, we examine the 3 H and 3 He data in kinematics where three-nucleon SRCs may play an important role. The data for the largest struck nucleon momenta are consistent with isolation of scattering from three-nucleon SRCs, and suggest that the very highest momentum nucleons in 3 He have a nearly isospin-independent momentum configuration.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Structural properties of aqueous grown polydopamine thin films determined by neutron reflectometry

Here, in this work, neutron reflectometry (NR) studies of the bio-mimetic polymer, polydopamine (PDA), deposited from differing initial concentrations of precursor material dopamine hydrochloride for a range of polymerization times, is reported. PDA can form a complex and highly versatile polymer film, with many structure studies having been performed previously, but a comprehensive structural determination of PDA by NR is lacking in the literature. It was found that simple box models were incapable of fully explaining the observed data, necessitating the use of a composite model consisting of the weighted average of both the 1 and 2 box models to fully capture the heterogeneous nature of the PDA film structure. Confocal laser scanning microscopy (CLSM) and atomic force microscopy (AFM) were performed to capture the surface structure and relative mechanical difference between the separate domains of the PDA. The CLSM results provide evidence that the PDA domains are larger than the coherent scattering length of a neutron used in these measurements, 10μm, supporting the need for a composite model. The AFM measurements show complex structure below the coherence length provide physical justification for the two box model. It was determined that film structure and quality are both heavily impacted by the initial concentration of dopamine hydrochloride and the polymerization time, giving confidence to the highly customizable nature of PDA as an adhesion promoting interface treatment in composite systems, such as plastic bonded explosives (PBX).

36 MATERIALS SCIENCE↗

DOE OSTI2020

The 1 H T 1 dispersion curve of fentanyl citrate to identify NQR parameters

We report the 1 H T 1 dispersion curve between 0 and 5 MHz for the synthetic opioid fentanyl citrate (C 28 H 36 N 2 O 8 ). The structures in the curve can be used to estimate the 14 N nuclear quadrupole resonance (NQR) frequencies of the material. Density functional theory predictions of the NQR parameters of several fentanyl citrate compounds are also reported. The predictions for the aniline nitrogen are consistent with structures in the observed T 1 data. To help interpret the fentanyl citrate results the T 1 dispersion curve for the explosive ammonium nitrate is also presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Dichotomous Temperature Response in the Electronic Structure of Epitaxially Grown Altermagnet MnTe

The altermagnet candidate MnTe has recently gained significant interest due to its unconventional magnetic ordering. One of the key features of altermagnetism is the momentum-dependent spin-split band and its temperaturedependent evolution. Yet a fully momentum-resolved experimental investigation, including out-of-plane direction, is still lacking. Here, we systematically investigate the electronic structure of epitaxially grown MnTe by using angle-resolved photoemission spectroscopy (ARPES). Our photon-energy-dependent ARPES data reveal significant out-of-plane dispersions consistent with previous theoretical calculations. More interestingly, we identify two distinct temperature-dependent electronic band structure evolutions at different out-of-plane momentum positions: momentum-dependent energy shifts at the nodal plane and substantial spectral weight suppression at the off-nodal plane. These findings may suggest the importance of considering both the itinerant and localized nature of the magnetic ordering and momentum-dependent interactions. Our work provides crucial insights into the complex correlation between momentum, temperature, and electronic structure in MnTe, contributing to a deeper understanding of altermagnetism.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2023

Neutralization Short-Circuiting with Weak Electrolytes Erodes the Efficiency of Bipolar Membranes

Bipolar membranes (BPMs) are critical components of a variety of electrochemical energy technologies. Many electrochemical applications require the use of buffers to maintain stable, nonextreme pH environments, yet the impact of buffers or weak acids/bases on the electrochemical behavior of BPMs remains poorly understood. Here, our data for a cell containing weak electrolytes is consistent with internal pH gradients within the anion exchange membrane (AEM) or cation exchange membrane (CEM) component of the BPM that form via ionic short-circuiting processes at open-circuit. Short-circuiting results from the coupling of co-ion crossover and parasitic neutralization and leads to buffering of the bipolar interface. This phenomenon, which we term neutralization short-circuiting, serves to erode BPM efficiency by attenuating the open-circuit membrane voltage and introducing parasitic reverse bias currents associated with weak acid/base dissociation at the interface. These findings establish a mechanistic basis for the operation of BPM cells in the presence of weak acid/base electrolytes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Hydrology in the Age of Artificial Intelligence: From Fragmentation to Coherent Terrestrial Hydrosphere Science

The rapid rise of machine learning (ML) in hydrology has prompted debate about the discipline's scientific relevance. While ML often outperforms traditional models in streamflow prediction, we argue that this reflects a deeper limitation: persistent fragmentation of hydrological science itself. Narrow focus on isolated components has hindered the development of coherent, scale‐relevant understanding of the integrated terrestrial hydrosphere. This is illustrated, for example, by widely divergent estimates of groundwater–streamflow interactions and of water balance‐implied ongoing storage changes. We argue that hydrology's future lies not in choosing between ML and physics, but in integrating data‐driven and process‐based approaches to advance consistent, realistic, and societally relevant understanding of the terrestrial hydrosphere and its multifaceted roles in the Earth System.

Painter, Scott L. [Oak Ridge National Laboratory (↗

DOE OSTI2020

Chemical structure and genetic organization of the E. coli O6:K15 capsular polysaccharide

Capsular polysaccharides are important virulence factors in pathogenic bacteria. Characterizing the structural components and biosynthetic pathways for these polysaccharides is key to our ability to design vaccines and other preventative therapies that target encapsulated pathogens. Many gramnegative pathogens such as Neisseria meningitidis and Escherichia coli express acidic capsules. The E. coli K15 serotype has been identifed as both an enterotoxigenic and uropathogenic pathogen. Despite its relevance as a disease-causing serotype, the associated capsular polysaccharide remains poorly characterized. We describe in this report the chemical structure of the K15 polysaccharide, based on chemical analysis and nuclear magnetic resonance (NMR) data. The repeating structure of the K15 polysaccharide consists of 4)-α-GlcpNAc-(1→5)-α-KDOp-(2→partially O-acetylated at 3-hydroxyl of GlcNAc. We also report, the organization of the gene cluster responsible for capsule biosynthesis. We identify genes in this cluster that potentially encode an O-acetyltransferase, an N-acetylglucosamine transferase, and a KDO transferase consistent with the structure we report.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Steady global surface warming from 1973 to 2022 but increased warming rate after 1990

The change in global mean surface temperature is a crucial and broadly used indicator of the evolution of climate change. Any decadal scale changes in warming rate are however obfuscated by internal variability. Here we show that the surface temperature increase through the recent La Nina influenced years (2022) is consistent with the 50-year trend of 0.18 °C/decade. We use an Earth System Model based tool to filter out modulations to the warming rate by sea-surface temperature patterns and find consistent warming rates in four major global temperature data series. However, we also find clear indications, in all observational series, of a step-up in warming rate since around 1990. CMIP6 models generally do not capture this observed combination of long-term warming rate and recent increase.

58 GEOSCIENCES↗

DOE OSTI2023

Capacitance–voltage modeling of mid-wavelength infrared nBn detectors

Capacitance–voltage measurements are a powerful technique to determine doping profiles of semiconductor pn junctions and Schottky barrier diodes. The measurements were recently extended to III-V-based mid-wavelength nBn infrared detectors, and absorber doping densities have been extracted using the widely accepted Schottky approximation, where the potential drop across the device is assumed to be across the depleting absorber layer. However, this approach is limited to when the absorber region of the nBn is under high reverse bias and thus is only able to extract the absorber region doping profile. Here, we introduce a semi-analytical model that is capable of extracting barrier dopant polarity, doping concentration, and thickness, as well as contact and absorber layer doping concentrations, all from a capacitance–voltage measurement. Rather than solely considering the potential drop across the depleting layers, it considers the potential drop across the accumulating layer as well. This negative charge accumulation occurs for the contact and absorber layers in the case of reverse and forward biases, respectively. This allows for a single model to be applied to a capacitance–voltage curve at forward and reverse biases and it can provide regions of bias where the absorber transitions from depletion to accumulation. We compare the agreement of the semianalytical model with modeling results from commercially available finite element method software and experimental capacitance–voltage data. Finally, we show that the method is consistent with the Schottky approximation of extracting absorber doping densities at high reverse bias and discuss the model's limitations.

Physics↗

DOE OSTI2023

Bayesian inferences of electrical current delivered to shocked transmission lines

Small radius Bdot measurements of electrical current delivered by pulsed power devices are routinely compromised by electrode/convolute plasmas endemic to multiterawatt transmission lines. Inferences of delivered current unaffected by these issues have recently been obtained by numerically optimizing consistency between model predictions and local experimental velocimetry data, but these are only unique for shockless velocity profiles. In the paper we describe a more general Bayesian method capable of inferring current despite the presence of shocks. Additionally, we describe uncertainty estimates and use of the technique on experimental data. This technique is the first to provide uncertainty estimates on the full current trace delivered to an inertial confinement fusion target.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Magnetic properties of the Ising-like rare earth pyrosilicate: D-Er 2 Si 2 O 7

Ising-like spin-1/2 magnetic materials are of interest for their ready connection to theory, particularly in the context of quantum critical behavior. In this work we report detailed studies of the magnetic properties of a member of the rare earth pyrosilicate family, D-Er 2 Si 2 O 7 , which is known to display a highly anisotropic Ising-like g-tensor and effective spin-1/2 magnetic moments. We used powder neutron diffraction, powder inelastic neutron spectroscopy (INS), and single crystal AC susceptibility to characterize its magnetic properties. Neutron diffraction enabled us to determine the magnetic structure below the known transition temperature (T N = 1.9 K) in zero field, confirming that the magnetic state is a four-sublattice antiferromagnetic structure with two non-collinear Ising axes, as was previously hypothesized. Our powder INS data revealed a gapped excitation at zero field, consistent with anisotropic (possibly Ising) exchange. An applied field of 1 T produces a mode softening, which is consistent with a field-induced second order phase transition. To assess the relevance of D-Er 2 Si 2 O 7 to the transverse field Ising model, we performed AC susceptibility measurements on a single crystal with the magnetic field oriented in the direction transverse to the Ising axes. This revealed a transition at 2.65 T at 0.1 K, a field significantly higher than the mode-softening field observed by powder INS, showing that the field-induced phase transitions are highly field-direction dependent as expected. Furthermore, these measurements suggest that D-Er 2 Si 2 O 7 may be a candidate for further exploration related to the transverse field Ising model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

First neutral beam experiments on Wendelstein 7-X

In the previous divertor campaign, the Wendelstein 7-X (W7-X) device injected 3.6 MW of neutral beam heating power allowing for the achievement of densities approaching 2 × 10 20 m -3 , and providing the first initial assessment of fast ion confinement in a drift optimized stellarator. The neutral beam injection (NBI) system on W7-X is comprised of two beam boxes with space for four radio frequency sources each. The 3.6 MW of heating reported in this work was achieved with two sources in the NI21 beam box. The effect of combined electron-cyclotron resonance heating (ECRH) and NBI was explored through a series of discharges varying both NBI and ECRH power. Discharges without ECRH saw a linear increase in the line-integrated plasma density, and strong peaking of the core density, over the discharge duration. The presence of 1 MW of ECRH power was found to be sufficient to control a continuous density rise during NBI operation. Simulations of fast ion wall loads were found to be consistent with experimental infrared camera images during operation. In general, NBI discharges were free from the presence of fast ion induced Alfvénic activity, consistent with low beam betas. These experiments provide data for future scenario development and initial assessment of fast-ion confinement in W7-X, a key topic of the project.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Spikey: self-lensing flares from eccentric SMBH binaries

Here, we examine the light curves of two quasars, motivated by recent suggestions that a supermassive black hole binary (SMBHB) can exhibit sharp lensing spikes. We model the variability of each light curve as due to a combination of two relativistic effects: the orbital relativistic Doppler boost and gravitational binary self-lensing. In order to model each system, we extend previous Doppler plus self-lensing models to include eccentricity. The first quasar is identified in optical data as a binary candidate with a 20-yr period (Ark 120), and shows a prominent spike. For this source, we rule out the lensing hypothesis and disfavour the Doppler-boost hypothesis due to discrepancies in the measured versus recovered values of the binary mass and optical spectral slope. The second source, which we nickname Spikey, is the rare case of an active galactic nucleus identified in Kepler’s high-quality, high-cadence photometric data. For this source, we find a model, consisting of a combination of Doppler modulation and a narrow symmetric lensing spike, consistent with an eccentric SMBHB with a mass of $M_{\text{tot}} = 3\times 10^{7} {\, \mathrm{M}_{\odot }}$, rest-frame orbital period T = 418 d, eccentricity e = 0.5, and seen at an inclination of 8° from edge-on. This interpretation can be tested by monitoring Spikey for periodic behaviour and recurring flares in the next few years. In preparation for such monitoring, we present the first X-ray observations of this object taken by the Neil Gehrels Swift Observatory.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

The Milky Way’s bulge star formation history as constrained from its bimodal chemical abundance distribution

ABSTRACT We conduct a quantitative analysis of the star formation history (SFH) of the Milky Way’s (MW) bulge by exploiting the constraining power of its stellar [Fe/H] and [Mg/Fe] distribution functions. Using Apache Point Observatory Galactic Evolution Experiment survey data, we confirm the previously established bimodal [Mg/Fe]–[Fe/H] distribution within 3 kpc of the inner Galaxy. To fit the chemical bimodal distribution, we use a simple but flexible star formation framework, which assumes two distinct stages of gas accretion and star formation, and systematically evaluate a wide multidimensional parameter space. We find that the data favour a three-phase SFH that consists of an initial starburst, followed by a rapid star formation quenching episode, and a lengthy, quiescent secular evolution phase. The metal-poor, high-α bulge stars ([Fe/H] < 0.0 and [Mg/Fe] > 0.15) are formed rapidly (<2 Gyr) during the early starburst. The density gap between the high- and low-α sequences is due to the quenching process. The metal-rich, low-α population ([Fe/H] > 0.0 and [Mg/Fe] < 0.15) then accumulates gradually through inefficient star formation during the secular phase. This is qualitatively consistent with the early SFH of the inner disc. Given this scenario, a notable fraction of young stars (age <5 Gyr) is expected to persist in the bulge. Combined with extragalactic observations, these results suggest that a rapid star formation quenching process is responsible for bimodal distributions in both the MW’s stellar populations and in the general galaxy population and thus plays a critical role in galaxy evolution.

Lian, Jianhui↗

DOE OSTI2022

Trumpler 16-26: a new centrifugal magnetosphere star discovered via SDSS/APOGEE H -band spectroscopy

ABSTRACT We report the discovery of a new example of the rare class of highly magnetized, rapidly rotating, helium enhanced, early B stars that produce anomalously wide hydrogen emission due to a centrifugal magnetosphere (CM). The star is Trumpler 16-26, a B1.5 V member of the Trumpler 16 open cluster. A CM was initially suspected based on hydrogen Brackett series emission observed in SDSS/APOGEE H-band spectra. Similar to the other stars of this type, the emission was highly variable and at all times remarkable due to the extreme velocity separations of the double peaks (up to 1300 km s−1.) Another clue lay in the TESS light curve, which shows two irregular eclipses per cycle when phased with the likely 0.971 8115-d rotation period, similar to the behaviour of the well-known CM host star σ Ori E. To confirm a strong magnetic field and rotation-phase-locked variability, we initiated a follow-up campaign consisting of optical spectropolarimetry and spectroscopy. The associated data revealed a longitudinal magnetic field varying between −3.1 and +1.6 kG with the period found from photometry. The optical spectra confirmed rapid rotation (v sin i = 195 km s−1), surface helium enhancement, and wide, variable hydrogen emission. Tr16-26 is thus confirmed as the 20th known, the fourth most rapidly rotating, and the faintest CM host star yet discovered. With a projected dipole magnetic field strength of Bd > 11 kG, Tr16-26 is also among the most magnetic CM stars.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Increasing the power of weak lensing data with multipole-based intrinsic alignment estimators

ABSTRACT It has long been known that galaxy shapes align coherently with the large-scale density field. Characterizing this effect is essential to interpreting measurements of weak gravitational lensing, the deflection of light from distant galaxies by matter overdensities along the line of sight, as it also produces coherent galaxy alignments that we wish to interpret in terms of a cosmological model. Existing direct measurements of intrinsic alignments using galaxy samples with high-quality shape and redshift measurements typically use well-understood but sub-optimal projected estimators, which do not make good use of the information in the data when comparing those estimators to theoretical models. We demonstrate a more optimal estimator, based on a multipole expansion of the correlation functions or power spectra, for direct measurements of galaxy intrinsic alignments. We show that even using the lowest order multipole alone increases the significance of inferred model parameters using simulated and real data, without any additional modelling complexity. We apply this estimator to measurements of parameters of the non-linear alignment model using data from the Sloan Digital Sky survey, demonstrating consistent results with a factor of ∼2 greater precision in parameter fits to intrinsic alignments models. This result is functionally equivalent to quadrupling the survey area, but without the attendant costs – thereby demonstrating the value in using this new estimator in current and future intrinsic alignments measurements using spectroscopic galaxy samples.

Astronomy & Astrophysics↗